Metabolomics Structure Database

 
MW REGNO: 2576
Common Name:20-hydroxy LTB4
Systematic Name:5S,12R,20-trihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid
RefMet Name:20-Hydroxy LTB4
Synonyms:20-hydroxy Leukotriene B4 [PubChem Synonyms]
Exact Mass:
352.2250 (neutral)    Calculate m/z:
Formula:C20H32O5
InChIKey:PTJFJXLGRSTECQ-PSPARDEHSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Eicosanoids [FA03]
LIPID MAPS subclass:Leukotrienes [FA0302]
MoNA MS spectra:View MS spectra
SMILES:O=C(O)CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCCO
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5280745
LIPID MAPS ID:LMFA03020018
CHEBI ID:15646
HMDB ID:HMDB0001509
KEGG ID:C04853
Chemspider ID:4444320
METLIN ID:6287
MetaCyc ID:20-OH-LTB4
Plant Metabolite Hub(Pmhub):MS000008775

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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